1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone

C16H10ClFOS — CID 63526814

IUPAC1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C16H10ClFOS/c17-12-5-3-6-13(18)11(12)9-14(19)16-8-10-4-1-2-7-15(10)20-16/h1-8H,9H2
InChIKeyKHQFBPCCUSJJTR-UHFFFAOYSA-N
MW304.77 g/mol
LogP5.12
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 63526814) has the molecular formula C16H10ClFOS and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID63526814
Molecular FormulaC16H10ClFOS
Molecular Weight304.77 g/mol
Exact Mass304.01
IUPAC Name1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C16H10ClFOS/c17-12-5-3-6-13(18)11(12)9-14(19)16-8-10-4-1-2-7-15(10)20-16/h1-8H,9H2
InChIKeyKHQFBPCCUSJJTR-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.77
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 46818217
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967597
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
1-(1-benzothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800328
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 63526814) is 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1c(F)cccc1Cl)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is KHQFBPCCUSJJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFOS/c17-12-5-3-6-13(18)11(12)9-14(19)16-8-10-4-1-2-7-15(10)20-16/h1-8H,9H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 304.77 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 63526814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).